(4-methyl-2-nitro-phenyl) 3-chloranyl-2-fluoranyl-benzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 3-chloranyl-2-fluoranyl-benzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 3-chloro-2-fluoro-benzenesulfonate CAS Name: 3-chloro-2-fluorobenzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 3-chloro-2-fluorobenzenesulfonate Traditional Name: 3-chloro-2-fluoro-benzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C13H9ClFNO5S MolecularWeight: 345.730663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=C(C(=CC=C2)Cl)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=C(C(=CC=C2)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C13H9ClFNO5S/c1-8-5-6-11(10(7-8)16(17)18)21-22(19,20)12-4-2-3-9(14)13(12)15/h2-7H,1H3